SCHEMBL2860432

SCHEMBL2860432

O=C(Nc1nccs1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 2/20 0.51
GCK P35557 1/20 0.50
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
NPC1 O15118 3/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
CASP3 P42574 1/20 0.46
HTT P42858 1/20 0.46
SENP8 Q96LD8 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
MALT1 Q9UDY8 5/20 0.46
RAB9A P51151 2/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2856496 0.82 MEN1 (0.44) KCNMA1KDM4ENPC1KMT2AMAPT
SCHEMBL6215480 0.81 MALT1 (0.53) MALT1
SCHEMBL2852163 0.81 KMT2A (0.53) ALDH1A1KDM4EKMT2AMAPTSMN1; SMN2
SCHEMBL2855512 0.80 MALT1 (0.55) KCNMA1ALDH1A1KDM4EKMT2AMAPT
SCHEMBL2857034 0.79 KDM4E (0.62) ALDH1A1KDM4ENPC1KMT2AMAPT
SCHEMBL2852931 0.78 KDM4E (0.57) ALDH1A1KDM4ENPC1KMT2AMAPT
SCHEMBL28696410 0.78 ALDH1A1 (0.76) ALDH1A1KDM4ENPC1KMT2AMAPT
SCHEMBL2860841 0.78 DHODH (0.55) ALDH1A1KDM4ENPC1KMT2AMAPT
SCHEMBL2856075 0.77 NAMPT (0.56) KCNMA1ALDH1A1KDM4EKMT2AMAPT
SCHEMBL2860428 0.77 KDM4E (0.52) ALDH1A1KDM4EKMT2AMAPTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed